Greg Landrum fee12b0aa6 Switch to determining atom chiral types from pseudo 3D instead of bond dirs (#6456) ...

* backup

* backup

* passes a lot of tests

* cleanup; still failing some tests

* pay attention to bond starting points... duh

* all tests pass

* invert y coords

* Scale bonds, make the Wedge detection cleaner, add more tests

* Readd comment

* Use document bond length

* Adds roundtrip test through a molblock

* a bit of cleanup

* remove the old code since we aren't using it any more.

* changes in response to review

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Co-authored-by: Brian Kelley <bkelley@relaytx.com>

2023-07-04 04:48:55 +02:00

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